5-amino-2-bromobenzamide

• ChemBase ID: 308780
• Molecular Formular: C7H7BrN2O
• Molecular Mass: 215.04728
• Monoisotopic Mass: 213.97417485
• SMILES: c1(C(=O)N)c(ccc(c1)N)Br
• Canonical SMILES: Nc1ccc(c(c1)C(=O)N)Br
• InChI: InChI=1S/C7H7BrN2O/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: QJCXXTYABLAOPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-bromobenzamide
• IUPAC Traditional name: 5-amino-2-bromobenzamide
• Synonyms: 5-amino-2-bromobenzamide

Database IDs

• CAS Number: 220583-56-2
• MDL Number: MFCD11505332

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.76303345
• LogD (pH = 7.4): 0.7637047
• Log P: 0.76371276
• Molar Refractivity: 47.4596 cm^3
• Polarizability: 17.226543 Å^3
• Polar Surface Area: 69.11 Å^2